Information card for entry 4064469

Structure parameters

• Formula: C14 H20 F12 N4 O2 P2
• Calculated formula: C14 H20 F12 N4 O2 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1[C@H]2[C@H](OC[C@@H]2n2cc[n+](c2)C)[C@@H](n2cc[n+](C)c2)C1
• Title of publication: Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands
• Authors of publication: Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2553
• a: 12.762 ± 0.002 Å
• b: 11.951 ± 0.002 Å
• c: 14.504 ± 0.002 Å
• α: 90°
• β: 99.815 ± 0.006°
• γ: 90°
• Cell volume: 2179.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No